THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE DOMAIN OF FORMIMINOTRANSFERASE-CYCLODEAMINASE.

N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid
[6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE; 6R-FOLINIC ACID

The crystal structure of the formiminotransferase domain of formiminotransferase-cyclodeaminase: implications for substrate channeling in a bifunctional enzyme.

PRODUCT ANALOGUE OF THE NATURAL SUBSTRATE

SQLVECVPNFSEGKNQEVIDAISRAVAQTPGCVLLDVDSGPSTNRTVYTFVGRPEDVVEGALNAARAAYQLIDMSRHHGE
HPRMGALDVCPFIPVRGVTMDECVRCAQAFGQRLAEELGVPVYLYGEAARTAGRQSLPALRAGEYEALPEKLKQAEWAPD
FGPSAFVPSWGATVAGARKFLLAFNINLLSTREQAHRIALDLREQGRGKDQPGRLKKVQAIGWYLDEKNLAQVSTNLLDF
EVTGLHTVFEETCREAQELSLPVVGSQLVGLVPLKALLDAAAFYCEKENLFLLQDEHRIRLVVNRLGLDSLAPFKPKERI
IEYLV

sodium citrate, glycerol, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K

no NCS restraints imposed Parameter and topology files for the ligands, folinic acid and glycerol were obtained from the Heteroatom compound database (Upsala, Sweden). The stereochemistry for folinic acid was manually altered from 6S to 6R.

FUNCTIONAL DIMER, ALPHA-BETA-BETA-ALPHA SANDWICH, ELECTROSTATICALLY CHARGED SUBSTRATE TUNNEL, TRANSFERASE